Basic information
- Standard SMILES
CC(=O)Nc1ccc(CC2=C(C(F)(F)F)N=NC2=O)cc1- InChIKey
MZLAYRYCVXFTAD-UHFFFAOYSA-N- Molecular formula
- C13H10F3N3O2
- Average molar mass
- 297.23 g/mol
Names & identifiers
- Preferred name
- 4-[(4-acetamidophenyl)methyl]-5-(trifluoromethyl)-3H-pyrazol-3-one
- IUPAC
- N-[4-[[3-oxo-5-(trifluoromethyl)pyrazol-4-yl]methyl]phenyl]acetamide
Names & synonyms
4-[(4-acetamidophenyl)methyl]-5-(trifluoromethyl)-3H-pyrazol-3-oneSCHEMBL9486987
Database identifiers
- PubChem CID
- 19782087
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 503
Related reactions
1 records
Compound notes
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